Density- and wavefunction-normalized Cartesian spherical harmonics for l 20

DOI10.1107/S2053273314024838MaRDI QIDQ2810244zbMATH OpenWikidataFDO

Authors J. Robert Michael, Anatoliy Volkov

Publication date 1 June 2016

Published in Acta Crystallographica. Section A (Search for Journal in Brave)

Full work available at URL https://doi.org/10.1107/S2053273314024838

zbMATH Keywords

charge densitypseudoatom modelspherical harmonics

Mathematics Subject Classification ID

Software, source code, etc. for problems pertaining to special functions (33-04) Spherical harmonics (33C55) Software, source code, etc. for problems pertaining to harmonic analysis on Euclidean spaces (42-04) Harmonic analysis in several variables (42B99) Numerical methods in Fourier analysis (65T99)

Recommendations

• Rotation of real spherical harmonics
• Rotation matrices for real spherical harmonics: general rotations of atomic orbitals in space-fixed axes
• Traceless cartesian tensor forms for spherical harmonic functions: new theorems and applications to electrostatics of dielectric media
• On the computation of the integrated products of three spherical harmonics
• Use of Cartesian coordinates in evaluation of multicenter multielectron integrals over Slater type orbitals and their derivatives

Cites work

• scientific article; zbMATH DE number 3863589 (Why is no real title available?)
• scientific article; zbMATH DE number 3942888 (Why is no real title available?)
• scientific article; zbMATH DE number 1266760 (Why is no real title available?)
• scientific article; zbMATH DE number 274399 (Why is no real title available?)
• scientific article; zbMATH DE number 3191217 (Why is no real title available?)
• Mathematical methods for physicists.
• Rotation matrices for real spherical harmonics: general rotations of atomic orbitals in space-fixed axes

Cited in

(3)

• On the charge density refinement of odd-order multipoles invariant under crystal point group symmetry
• Fast analytical evaluation of intermolecular electrostatic interaction energies using the pseudoatom representation of the electron density. I: The Löwdin -function method
• Fast analytical evaluation of intermolecular electrostatic interaction energies using the pseudoatom representation of the electron density. II: The Fourier transform method

Describes a project that uses

Uses Software

• Mathematica

This page was built for publication: Density- and wavefunction-normalized Cartesian spherical harmonics for \(l\leq 20\)

Report a bug (only for logged in users!)Click here to report a bug for this page (MaRDI item Q2810244)